Detailed information for compound 155431

Basic information

Technical information
  • TDR Targets ID: 155431
  • Name: hexane-1-sulfonyl fluoride
  • MW: 168.23 | Formula: C6H13FO2S
  • H donors: 0 H acceptors: 2 LogP: 2.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCS(=O)(=O)F
  • InChi: 1S/C6H13FO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
  • InChiKey: DNCIDNCRBAKPTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-hexanesulfonyl fluoride
  • 65269-96-7
  • EINECS 265-663-2
  • Hexane-1-sulphonyl fluoride

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0069 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0103 0.1333 0.1333
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0325 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0103 0.1333 0.4207
Brugia malayi latrophilin 2 splice variant baaae 0.0222 0.5988 0.5988
Loa Loa (eye worm) RNA binding protein 0.015 0.3168 0.3168
Loa Loa (eye worm) hypothetical protein 0.0222 0.5988 0.5988
Schistosoma mansoni tar DNA-binding protein 0.015 0.3168 0.5291
Brugia malayi Calcitonin receptor-like protein seb-1 0.0325 1 1
Schistosoma mansoni tar DNA-binding protein 0.015 0.3168 0.5291
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0069 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0103 0.1333 0.4207
Echinococcus multilocularis tar DNA binding protein 0.015 0.3168 1
Brugia malayi RNA recognition motif domain containing protein 0.015 0.3168 0.3168
Brugia malayi TAR-binding protein 0.015 0.3168 0.3168
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0103 0.1333 0.1333
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.015 0.3168 0.5291
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0069 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.015 0.3168 0.5291
Toxoplasma gondii isocitrate dehydrogenase 0.0069 0 0.5
Echinococcus granulosus tar DNA binding protein 0.015 0.3168 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1333 0.1333
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.015 0.3168 0.3168
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0069 0 0.5
Echinococcus granulosus GPCR family 2 0.0103 0.1333 0.4207
Schistosoma mansoni hypothetical protein 0.0103 0.1333 0.2226
Toxoplasma gondii isocitrate dehydrogenase 0.0069 0 0.5
Brugia malayi RNA binding protein 0.015 0.3168 0.3168
Schistosoma mansoni hypothetical protein 0.0222 0.5988 1
Schistosoma mansoni hypothetical protein 0.0103 0.1333 0.2226
Schistosoma mansoni hypothetical protein 0.0103 0.1333 0.2226
Loa Loa (eye worm) latrophilin receptor protein 2 0.0103 0.1333 0.1333
Loa Loa (eye worm) TAR-binding protein 0.015 0.3168 0.3168
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0103 0.1333 0.4207
Schistosoma mansoni hypothetical protein 0.0103 0.1333 0.2226
Loa Loa (eye worm) hypothetical protein 0.0325 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0103 0.1333 0.4207
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0103 0.1333 0.4207
Schistosoma mansoni tar DNA-binding protein 0.015 0.3168 0.5291
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0069 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 50 % Percent inhibition of compound against Lipoprotein lipase(LPL) at 10 uM was evaluated ChEMBL. 11133096
Inhibition (binding) = 50 % Percent inhibition of compound against Lipoprotein lipase(LPL) at 10 uM was evaluated ChEMBL. 11133096
Inhibition (binding) = 60 % Percent inhibition of compound against Lipoprotein lipase(LPL) at 3h was evaluated ChEMBL. 11133096
Inhibition (binding) = 60 % Percent inhibition of compound against Lipoprotein lipase(LPL) at 3h was evaluated ChEMBL. 11133096

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.